22P
Summary
| Name: | (2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-(aminomethyl)-2-hydroxy-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)(CCc1ccccc1)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NC[C@](O)(CCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | NC[C](O)(CCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC[C@@](CN)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCC(CN)(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c12-8-11(15,10(13)14)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8,12H2,(H,13,14)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | IUOCOUFAWITNIG-LLVKDONJSA-N |
